deuteroxyl
nitric acid-d1
A
water-d2
B
nitrate radical
Conditions | Yield |
---|---|
In gaseous matrix Kinetics; Irradiation (UV/VIS); photolysis in Pyrex vessel, gas flow velocity: 5-10 cms**-1, T: 239.7-, 370.1 K, p: 20-199.7 Torr, buffer gas: He, SF6; | A n/a B 0.95% |
In neat (no solvent) Kinetics; 263-446 K, 1-20 Torr; | |
With sulfur(VI) hexafluoride In neat (no solvent) Kinetics; 263-446 K, 1-107 Torr; |
Conditions | Yield |
---|---|
In not given 34.2°C;; |
Conditions | Yield |
---|---|
In not given byproducts: H(2)H; equilibrium constant discussed;; | |
In not given byproducts: (2)HH; equilibrium constant discussed;; | |
In not given byproducts: (2)HH; equilibrium discussed;; | |
In not given byproducts: (2)HH; equilibrium constant discussed;; |
Conditions | Yield |
---|---|
In neat (no solvent, gas phase) hydrogen-isotope-exchange reaction studied in electrochem. double cells; |
Conditions | Yield |
---|---|
In not given byproducts: H2; thermodynamic data discussed;; | |
With catalyst: Pd on activated charcoal; In neat (no solvent) | |
In not given byproducts: H; equilibrium constant discussed;; |
Conditions | Yield |
---|---|
production of D2O by H/D exchange; | |
production of D2O by H/D exchange; |
Conditions | Yield |
---|---|
In not given Kinetics; | |
In not given Kinetics; |
Conditions | Yield |
---|---|
rutile In neat (no solvent) Kinetics; byproducts: formaldehyde, CO2, (2)H2; other Radiation; decompn. on stoch. and defective surfaces of TiO2(110) rutile single crystal at 400-613 K; yields of CO and (2)H2O were about 60 %; (2)H2CO and CO2 - about 10 %; (2)H2 -about 2 %; detd. by TPRS; |
Conditions | Yield |
---|---|
In not given byproducts: Fe; equilibrium constant discussed;; |
Conditions | Yield |
---|---|
In solid pressurizing (77 K, 15 kbar), releasing pressure (liq. N2), transferring(aluminium container), evacuating (20 mbar), cooling (5 or 15 K); |
Conditions | Yield |
---|---|
In acetone Sonication; sonicating (30 min), D2-atmosphere (1 h), air atmosphere (overnight); detd. by (2)D NMR spectroscopy; |
Conditions | Yield |
---|---|
In neat (no solvent) Kinetics; react. of D and O coadsorbed on Rh(100) surface at 90 K, heated in UHV between 140 and 240 K, formation of OD intermediate, heating higher than 240 K, H2O formed and evolved from surface; react. is monitored by electron energy loss spectroscopy and low energy electron diffraction; |
Conditions | Yield |
---|---|
platinum In neat (no solvent) other Radiation; 200 Torr, microwave discharge, 440-913 K; |
silane-d4
monosilane
A
water-d2
B
water
D
deuterium
Conditions | Yield |
---|---|
In gaseous matrix Kinetics; react. in a discharge flow system with MS spect. detection (O-atom generation by titration react. of N/NO), carrier gas Ar, room temp., pressure 400 Pa, coated reactor; product distribution; products not isolated, detd. by MS, GC; |
deuterium
water-d2
Conditions | Yield |
---|---|
With αO in FeZSM-5 zeolite In neat (no solvent) Kinetics; -100 - +20 °C; | |
In neat (no solvent) zeolite treated at 550°C, surface α-oxygen formed by decomposing N2O at 250°C, interaction of deuterium with α-oxygen at 100°C, condensed products freezed in a trap at -196°C for 30 min; | |
With VO(x) on Pd(111) In neat (no solvent) oxidation of D2 on Pd(111) surface coated by VO(x) prepared by electron beam evaporation of V onto Pd at 523 K in O2 atmosphere of 2*10**-7 mbar; detd. by MAS; |
hydrogen
nitrogen(II) oxide
deuterium
A
nitrogen
B
water
C
water-d2
D
water
Conditions | Yield |
---|---|
With catalyst: Pd/Ce-Zr-La-γ-alumina In neat (no solvent) Kinetics; byproducts: N2O, NH3, NH2(2)H; Ar; at 155+/-3°C, at atm. pressure; further by-products: NH(2)H2,N(2)H3; MS; |
hydrogen
oxygen
deuterium
A
water
B
water-d2
C
water
Conditions | Yield |
---|---|
platinum In gaseous matrix 200 mTorr; not isolated; IR spectroscopy; |
Conditions | Yield |
---|---|
Kinetics; byproducts: CH4; up to various time on Ni/SiO2 catalyst; D2O detd. by trapping at 77 K, followed analysis using gas chromy.; | |
rhodium In neat (no solvent) byproducts: CD4; methanation on Rh surface at 10**-8Torr and 150K using pulsed-laser image atom-probe; studying atomic steps of react.;; detn. react. intermediates by time-of-flight mass spectrum;; |
Conditions | Yield |
---|---|
In neat (no solvent) Kinetics; react. of H2-D2 over PMo12 at 573 K; initial pressures of H2: 12 Torr, D2 20 Torr; detn. of pressure decrease; evolved water detd. volumetrically; |
Conditions | Yield |
---|---|
platinum 300 K; |
Conditions | Yield |
---|---|
With air; hydrogen; LaNi5(2)H6.7 room temp.; | A 0% B n/a |
Conditions | Yield |
---|---|
copper(II) oxide In not given Kinetics; | |
nickel(II) oxide In not given Kinetics; | |
platinum Kinetics; water formation on Pt; |
methane
carbon dioxide
deuterium
A
carbon monoxide
B
water
C
hydrogen
D
water-d2
E
water
Conditions | Yield |
---|---|
With catalyst:7 wtpercentNi/MgO In neat (no solvent) Kinetics; byproducts: HDO; 7 wt% Ni/MgO as catalyst, CH4:CO2:D2=1:1:0.2, 973 K, 16.7 kPa CH4 and CO2, resp., 3.3 kPa D2, 100 kPa total pressure, Ar as balance, HDO was also formed; monitored by MS; |
Conditions | Yield |
---|---|
nickel Kinetics; at 124-192 °C,total pressure:15 mmHg; | |
With catalysts: Ir/Al2O3 Kinetics; at 393-473°C; | |
With catalysts: Pt/Al2O3 Kinetics; at 393-473°C; |
Conditions | Yield |
---|---|
In not given byproducts: Sn; equilibrium constant discussed;; | |
In not given byproducts: Sn; | |
In not given byproducts: Sn; |
Conditions | Yield |
---|---|
In neat (no solvent) Kinetics; |
carbon dioxide
deuterium
A
water
B
water-d2
C
water
Conditions | Yield |
---|---|
With methane In neat (no solvent) reaction of CH4/CO2/D2/Ar mixt. at 873 K on catalyst Ru/Al2O3 studied; MS; | |
With methane In gas react. of CH4/CO2/(2)H2 mixt. on Pt/(ZrO2-CeO2) at 873 K led to production of water isotopomers; MS; |
methane
methane
carbon dioxide
A
carbon monoxide
B
water
C
water-d2
D
pyrographite
E
water
Conditions | Yield |
---|---|
With catalyst:7 wtpercentNi/MgO In neat (no solvent) Kinetics; byproducts: CHD3, CH2D2, CH3D; 7 wt% Ni/MgO as catalyst, CH4:CD4:H2O=1:1:2, 873-973 K, 12.5 kPa CH4 andCD4, resp., 25 kPa CO2, 100 kPa total pressure, Ar as balance; monitored by MS; |
methane
carbon dioxide
A
carbon monoxide
B
water-d2
C
pyrographite
D
deuterium
Conditions | Yield |
---|---|
With catalyst:7 wtpercentNi/MgO In neat (no solvent) Kinetics; 7 wt% Ni/MgO as catalyst, 20 kPa CD4 and 25 kPa CO2 pressure, resp., He as balance, 100-1500 kPa total pressure, 873 K; |
Conditions | Yield |
---|---|
rutile In neat (no solvent) react. at oxygen vacancy defects on surface of rutile TiO2(110); detd. by TPD; |
Conditions | Yield |
---|---|
With sulfuric acid In hydrogenchloride dissolving the cerium oxide in dil. HCl adding the equiv. amt. of 0.1 NH2SO4 to yield a quant. amt. of sulfate which was pptd. as small needles by the addn. of an excess of ethyl alcohol; the crystals were filteredoff; washed with water/alcohol, purifn. by crystn., dehydration under vac. at 380°C; after sufficient dehydration the compound was dissolved in D2O at about 4°C; | 100% |
Conditions | Yield |
---|---|
With sodium methoxide In tetrahydrofuran; deuteromethanol MeONa added to soln. of ((C5H4)2)Mo2(CO)5(C(CH2)3O) in THF and CH3OD, reacted for 5 min; filtered through short column of alumina deactivated with D2O, eluted with THF, rotary evapd.; | 100% |
((CH3)5C5)W(NO)(OH)(η(2)-HN=C(Me)CH=CPh)
water-d2
((CH3)5C5)W(NO)(OD)(η(2)-DN=C(Me)CH=CPh)
Conditions | Yield |
---|---|
In [D3]acetonitrile N2 or Ar-atmosphere, NMR tube; 45°C (overnight); not isolated, detd. by NMR spectroscopy; | 100% |
((CH3)5C5)W(NO)(η(3)-HNC(Me)=NC(=CH2)CH=CPh)
water-d2
((CH3)5C5)W(NO)(η(3)-DNC(CD3)=NC(=CD2)CH=CPh)
Conditions | Yield |
---|---|
In tetrahydrofuran-d8 N2 or Ar-atmosphere; 55°C (48 h); not isolated, detd. by NMR spectroscopy; | 100% |
deuteroxyl
nitric acid-d1
A
water-d2
B
nitrate radical
Conditions | Yield |
---|---|
In gaseous matrix Kinetics; Irradiation (UV/VIS); photolysis in Pyrex vessel, gas flow velocity: 5-10 cms**-1, T: 239.7-, 370.1 K, p: 20-199.7 Torr, buffer gas: He, SF6; | A n/a B 0.95% |
In neat (no solvent) Kinetics; 263-446 K, 1-20 Torr; | |
With sulfur(VI) hexafluoride In neat (no solvent) Kinetics; 263-446 K, 1-107 Torr; |
Conditions | Yield |
---|---|
In not given 34.2°C;; |
Conditions | Yield |
---|---|
In not given byproducts: H(2)H; equilibrium constant discussed;; | |
In not given byproducts: (2)HH; equilibrium constant discussed;; | |
In not given byproducts: (2)HH; equilibrium discussed;; | |
In not given byproducts: (2)HH; equilibrium constant discussed;; |
Conditions | Yield |
---|---|
In neat (no solvent, gas phase) hydrogen-isotope-exchange reaction studied in electrochem. double cells; |
Conditions | Yield |
---|---|
In not given byproducts: H2; thermodynamic data discussed;; | |
With catalyst: Pd on activated charcoal; In neat (no solvent) | |
In not given byproducts: H; equilibrium constant discussed;; |
Conditions | Yield |
---|---|
production of D2O by H/D exchange; | |
production of D2O by H/D exchange; |
Conditions | Yield |
---|---|
In not given Kinetics; | |
In not given Kinetics; |
Conditions | Yield |
---|---|
rutile In neat (no solvent) Kinetics; byproducts: formaldehyde, CO2, (2)H2; other Radiation; decompn. on stoch. and defective surfaces of TiO2(110) rutile single crystal at 400-613 K; yields of CO and (2)H2O were about 60 %; (2)H2CO and CO2 - about 10 %; (2)H2 -about 2 %; detd. by TPRS; |
Conditions | Yield |
---|---|
In not given byproducts: Fe; equilibrium constant discussed;; |
Conditions | Yield |
---|---|
In solid pressurizing (77 K, 15 kbar), releasing pressure (liq. N2), transferring(aluminium container), evacuating (20 mbar), cooling (5 or 15 K); |
Conditions | Yield |
---|---|
In acetone Sonication; sonicating (30 min), D2-atmosphere (1 h), air atmosphere (overnight); detd. by (2)D NMR spectroscopy; |
Conditions | Yield |
---|---|
In neat (no solvent) Kinetics; react. of D and O coadsorbed on Rh(100) surface at 90 K, heated in UHV between 140 and 240 K, formation of OD intermediate, heating higher than 240 K, H2O formed and evolved from surface; react. is monitored by electron energy loss spectroscopy and low energy electron diffraction; |
Conditions | Yield |
---|---|
platinum In neat (no solvent) other Radiation; 200 Torr, microwave discharge, 440-913 K; |
silane-d4
monosilane
A
water-d2
B
water
D
deuterium
Conditions | Yield |
---|---|
In gaseous matrix Kinetics; react. in a discharge flow system with MS spect. detection (O-atom generation by titration react. of N/NO), carrier gas Ar, room temp., pressure 400 Pa, coated reactor; product distribution; products not isolated, detd. by MS, GC; |
deuterium
water-d2
Conditions | Yield |
---|---|
With αO in FeZSM-5 zeolite In neat (no solvent) Kinetics; -100 - +20 °C; | |
In neat (no solvent) zeolite treated at 550°C, surface α-oxygen formed by decomposing N2O at 250°C, interaction of deuterium with α-oxygen at 100°C, condensed products freezed in a trap at -196°C for 30 min; | |
With VO(x) on Pd(111) In neat (no solvent) oxidation of D2 on Pd(111) surface coated by VO(x) prepared by electron beam evaporation of V onto Pd at 523 K in O2 atmosphere of 2*10**-7 mbar; detd. by MAS; |
hydrogen
nitrogen(II) oxide
deuterium
A
nitrogen
B
water
C
water-d2
D
water
Conditions | Yield |
---|---|
With catalyst: Pd/Ce-Zr-La-γ-alumina In neat (no solvent) Kinetics; byproducts: N2O, NH3, NH2(2)H; Ar; at 155+/-3°C, at atm. pressure; further by-products: NH(2)H2,N(2)H3; MS; |
hydrogen
oxygen
deuterium
A
water
B
water-d2
C
water
Conditions | Yield |
---|---|
platinum In gaseous matrix 200 mTorr; not isolated; IR spectroscopy; |
Conditions | Yield |
---|---|
Kinetics; byproducts: CH4; up to various time on Ni/SiO2 catalyst; D2O detd. by trapping at 77 K, followed analysis using gas chromy.; | |
rhodium In neat (no solvent) byproducts: CD4; methanation on Rh surface at 10**-8Torr and 150K using pulsed-laser image atom-probe; studying atomic steps of react.;; detn. react. intermediates by time-of-flight mass spectrum;; |
Conditions | Yield |
---|---|
In neat (no solvent) Kinetics; react. of H2-D2 over PMo12 at 573 K; initial pressures of H2: 12 Torr, D2 20 Torr; detn. of pressure decrease; evolved water detd. volumetrically; |
Conditions | Yield |
---|---|
platinum 300 K; |
Conditions | Yield |
---|---|
With air; hydrogen; LaNi5(2)H6.7 room temp.; | A 0% B n/a |
Conditions | Yield |
---|---|
copper(II) oxide In not given Kinetics; | |
nickel(II) oxide In not given Kinetics; | |
platinum Kinetics; water formation on Pt; |
methane
carbon dioxide
deuterium
A
carbon monoxide
B
water
C
hydrogen
D
water-d2
E
water
Conditions | Yield |
---|---|
With catalyst:7 wtpercentNi/MgO In neat (no solvent) Kinetics; byproducts: HDO; 7 wt% Ni/MgO as catalyst, CH4:CO2:D2=1:1:0.2, 973 K, 16.7 kPa CH4 and CO2, resp., 3.3 kPa D2, 100 kPa total pressure, Ar as balance, HDO was also formed; monitored by MS; |
Conditions | Yield |
---|---|
nickel Kinetics; at 124-192 °C,total pressure:15 mmHg; | |
With catalysts: Ir/Al2O3 Kinetics; at 393-473°C; | |
With catalysts: Pt/Al2O3 Kinetics; at 393-473°C; |
Conditions | Yield |
---|---|
In not given byproducts: Sn; equilibrium constant discussed;; | |
In not given byproducts: Sn; | |
In not given byproducts: Sn; |
Conditions | Yield |
---|---|
In neat (no solvent) Kinetics; |
In the year 1931, Harold Urey discovered the isotope deuterium and was later able to concentrate it in water. Urey's mentor Gilbert Newton Lewis isolated the first sample of pure heavy water by electrolysis in 1933. George de Hevesy and Hoffer used heavy water in 1934 in one of the first biological tracer experiments, to estimate the rate of turnover of water in the human body. The history of large-quantity production and use of heavy water in early nuclear experiments is given below.
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
The Heavy water with CAS registry number of 7789-20-0 is also known as Deuterium oxide. The IUPAC name is (2H2)water. It belongs to product categories of Inorganics; Heavy Water (Deuterium Oxide); Alphabetical Listings; D; Stable Isotopes. Its EINECS registry number is 232-148-9. In addition, the formula is D2O and the molecular weight is 20.03. The chemical is a colourless liquid and should be stored in sealed containers in cool, dry place. What's more, it is obtained by liquid hydrogen distillation. During using it, avoid contact with skin and eyes.
Physical properties about Heavy water are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)Index of Refraction: 1.329; (6)Molar Refractivity: 3.676 cm3; (7)Molar Volume: 18.045 cm3; (8)Polarizability: 1.457×10-24cm3; (9)Surface Tension: 72.269 dyne/cm; (10)Density: 1.11 g/cm3; (11)Enthalpy of Vaporization: 40.65 kJ/mol; (12)Boiling Point: 100 °C at 760 mmHg; (13)Vapour Pressure: 24.475 mmHg at 25 °C.
Uses of Heavy water: it is used in nuclear magnetic resonance spectroscopy when the solvent of interest is water and the nuclide of interest is hydrogen. It is often used as the source of deuterium for preparing specifically labelled isotopologs of organic compounds and used instead of water when collecting FTIR spectra of proteins in solution. What's more, it is used in certain types of nuclear reactors where it acts as a neutron moderator to slow down neutrons.
You can still convert the following datas into molecular structure:
1. SMILES: [2H]O[2H]
2. InChI: InChI=1/H2O/h1H2/i/hD2
3. InChIKey: XLYOFNOQVPJJNP-ZSJDYOACEI
4. Std. InChI: InChI=1S/H2O/h1H2/i/hD2
5. Std. InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N
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